Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27566698 | 0.91 | TSHR (0.56) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL10840633 | 0.88 | THRB (0.50) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Ethylene Glycol SCHEMBL22409556 | 0.88 | THRB (0.55) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL9167028 | 0.86 | THRB (0.62) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL19043109 | 0.86 | THRB (0.62) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL9555330 | 0.86 | THRB (0.62) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL8005456 | 0.85 | THRB (0.47) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL15667705 | 0.84 | THRB (0.44) | TSHRTHRBALDH1A1POLBAPEX1 | |
| SCHEMBL2464206 | 0.83 | THRB (0.46) | TSHRTHRBALDH1A1POLBAPEX1 | |
| Methacrylic Acid SCHEMBL29261096 | 0.83 | THRB (0.46) | TSHRTHRBALDH1A1POLBAPEX1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9790386-B2 | Ink composition, two-pack curing ink composition set, and recording method and recorded matter using these | SEIKO EPSON CORPORATION (JP) | 2017-10-17 | — | — | US | disclosed |
| US-20150368490-A1 | Ink Composition, Two-Pack Curing Ink Composition Set, And Recording Method And Recorded Matter Using These | SEIKO EPSON CORP (JP) | 2015-12-24 | — | — | US | disclosed |
| US-9169410-B2 | Ink composition, two-pack curing ink composition set, and recording method and recorded matter using these | SEIKO EPSON CORPORATION (JP) | 2015-10-27 | — | — | US | disclosed |
| US-8673994-B2 | Ink composition, two-pack curing ink composition set, and recording method and recorded matter using these | SEIKO EPSON CORPORATION (JP) | 2014-03-18 | — | — | US | disclosed |
| US-20110287236-A1 | Ink Composition, Two-Pack Curing Ink Composition Set, and Recording Method and Recorded Matter Using These | SEIKO EPSON CORPORATION (JP) | 2011-11-24 | — | — | US | disclosed |
| US-20080132599-A1 | Ink composition, two-pack curing ink composition set, and recording method and recorded matter using these | SEIKO EPSON CORPORATION. | 2008-06-05 | — | — | US | disclosed |
| EP-1927633-A1 | Ink composition, two-pack curing ink composition set, and recording method and recorded matter using these | Seiko Epson Corporation (JP) | 2008-06-04 | — | — | EP | disclosed |